High-pressure phase transitions inLi2SO4
نویسندگان
چکیده
منابع مشابه
Role of relativity in high-pressure phase transitions of thallium
We demonstrate the relativistic effects in high-pressure phase transitions of heavy element thallium. The known first phase transition from h.c.p. to f.c.c. is initially investigated by various relativistic levels and exchange-correlation functionals as implemented in FPLO method, as well as scalar relativistic scheme within PAW formalism. The electronic structure calculations are interpreted f...
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A computational investigation of the high-pressure phase sequence of the heaviest alkali hydroxides, RbOH and CsOH, shows that the phase diagram of both compounds is richer than hitherto thought. First-principles calculations suggest, based on energetics and comparisons to experimental diffraction and spectroscopy signatures, that the high-pressure phase RbOH-VI, stable above 6 GPa in experimen...
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Raman spectroscopy and angle dispersive X-ray diffraction (XRD) experiments of bismuth selenide (Bi2Se3) have been carried out to pressures of 35.6 and 81.2 GPa, respectively, to explore its pressure-induced phase transformation. The experiments indicate that a progressive structural evolution occurs from an ambient rhombohedra phase (Space group (SG): R-3m) to monoclinic phase (SG: C2/m) and e...
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Recent theoretical simulations using density functional theory (DFT) and novel low temperature high energy x-ray diffraction experiments clearly show the existence of a high pressure morphotropic phase boundary (MPB) in pure PbTiO(3). The experiments show a richer phase diagram than the simulations, with multiple monoclinic phases (Pm and Cm) in the MPB region. In this paper we examine the MPB ...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 1990
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.41.11593